3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

C7H13N5OS — CID 3070081

IUPAC3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCn1nnnc1CSCCC(N)=O
InChIInChI=1S/C7H13N5OS/c1-2-12-7(9-10-11-12)5-14-4-3-6(8)13/h2-5H2,1H3,(H2,8,13)
InChIKeyDLILMAIALIVQNX-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.20
Rot. Bonds6

About 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide

3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 3070081) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID3070081
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCn1nnnc1CSCCC(N)=O
InChIInChI=1S/C7H13N5OS/c1-2-12-7(9-10-11-12)5-14-4-3-6(8)13/h2-5H2,1H3,(H2,8,13)
InChIKeyDLILMAIALIVQNX-UHFFFAOYSA-N
XLogP-0.20
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide (CID 3070081) is 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is CCn1nnnc1CSCCC(N)=O.
What is the InChIKey of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is DLILMAIALIVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c1-2-12-7(9-10-11-12)5-14-4-3-6(8)13/h2-5H2,1H3,(H2,8,13).
What are the key properties of 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide?
3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 215.28 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 3070081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).